6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine

C12H22N4 — CID 80980725

IUPAC6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(NCC)c1C
InChIInChI=1S/C12H22N4/c1-5-8-14-12-9(4)11(13-7-3)15-10(6-2)16-12/h5-8H2,1-4H3,(H2,13,14,15,16)
InChIKeyHXZPVHMAPIWHGR-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.60
Rot. Bonds6

About 6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine

6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine (PubChem CID 80980725) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
PubChem CID80980725
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(NCC)c1C
InChIInChI=1S/C12H22N4/c1-5-8-14-12-9(4)11(13-7-3)15-10(6-2)16-12/h5-8H2,1-4H3,(H2,13,14,15,16)
InChIKeyHXZPVHMAPIWHGR-UHFFFAOYSA-N
XLogP2.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 113304250
4-N-[2-(diethylamino)ethyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80980989
2-ethyl-5-methyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332058
6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80976798
4-N-butan-2-yl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80980971
4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol
CID 80992163
4-N-[2-(dimethylamino)propyl]-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983119
2-ethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983333
6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327660
2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide
CID 80993763
3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80992450

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine (CID 80980725) is 6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine is CCCNc1nc(CC)nc(NCC)c1C.
What is the InChIKey of 6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is HXZPVHMAPIWHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-8-14-12-9(4)11(13-7-3)15-10(6-2)16-12/h5-8H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine?
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80980725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).